5-amino-3-(2-methoxyethyl)-4-propan-2-yl-4H-imidazol-2-one

C9H17N3O2 — CID 79968035

IUPAC5-amino-3-(2-methoxyethyl)-4-propan-2-yl-4H-imidazol-2-one
SMILESCOCCN1C(=O)N=C(N)C1C(C)C
InChIInChI=1S/C9H17N3O2/c1-6(2)7-8(10)11-9(13)12(7)4-5-14-3/h6-7H,4-5H2,1-3H3,(H2,10,11,13)
InChIKeyYUUXXJAOTKFSLU-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.45
Rot. Bonds4

About 5-amino-3-(2-methoxyethyl)-4-propan-2-yl-4H-imidazol-2-one

5-amino-3-(2-methoxyethyl)-4-propan-2-yl-4H-imidazol-2-one (PubChem CID 79968035) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 5-amino-3-(2-methoxyethyl)-4-propan-2-yl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-(2-methoxyethyl)-4-propan-2-yl-4H-imidazol-2-one
PubChem CID79968035
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name5-amino-3-(2-methoxyethyl)-4-propan-2-yl-4H-imidazol-2-one
SMILESCOCCN1C(=O)N=C(N)C1C(C)C
InChIInChI=1S/C9H17N3O2/c1-6(2)7-8(10)11-9(13)12(7)4-5-14-3/h6-7H,4-5H2,1-3H3,(H2,10,11,13)
InChIKeyYUUXXJAOTKFSLU-UHFFFAOYSA-N
XLogP0.45
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-3-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)-4H-imidazol-2-one
CID 113472602
5-amino-3-(2-methoxyethyl)-4-(2,4,6-trimethylphenyl)-4H-imidazol-2-one
CID 79966923
5-amino-4-(1,5-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)-4H-imidazol-2-one
CID 79967010
5-amino-4-methyl-3-(2-methylpropyl)-4H-imidazol-2-one
CID 79960297
methyl 5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazole-4-carboxylate
CID 79960504
5-amino-4-[1-(2-hydroxyethyl)triazol-4-yl]-3-(2-methoxyethyl)-4H-imidazol-2-one
CID 79968127
5-amino-4-(3-cyclopropylimidazol-4-yl)-3-(2-methoxyethyl)-4H-imidazol-2-one
CID 79967467
1-(2-methoxyethyl)-5-propan-2-yl-4,5-dihydroimidazol-2-amine
CID 79505763
5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyethyl)-4H-imidazol-2-one
CID 79973133
5-amino-4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-4H-imidazol-2-one
CID 79961059
4-amino-5-butan-2-yl-1-(2-methoxyethyl)-5-methylimidazol-2-one
CID 79967017
5-amino-4-benzyl-3-(2-methylpropyl)-4H-imidazol-2-one
CID 79961437

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-methoxyethyl)-4-propan-2-yl-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-(2-methoxyethyl)-4-propan-2-yl-4H-imidazol-2-one (CID 79968035) is 5-amino-3-(2-methoxyethyl)-4-propan-2-yl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-(2-methoxyethyl)-4-propan-2-yl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-(2-methoxyethyl)-4-propan-2-yl-4H-imidazol-2-one is COCCN1C(=O)N=C(N)C1C(C)C.
What is the InChIKey of 5-amino-3-(2-methoxyethyl)-4-propan-2-yl-4H-imidazol-2-one?
The InChIKey is YUUXXJAOTKFSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-6(2)7-8(10)11-9(13)12(7)4-5-14-3/h6-7H,4-5H2,1-3H3,(H2,10,11,13).
What are the key properties of 5-amino-3-(2-methoxyethyl)-4-propan-2-yl-4H-imidazol-2-one?
5-amino-3-(2-methoxyethyl)-4-propan-2-yl-4H-imidazol-2-one has a molecular weight of 199.25 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-methoxyethyl)-4-propan-2-yl-4H-imidazol-2-one is sourced from PubChem (CID 79968035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).